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DocumentationIdentifier: MM63572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63572 |
| SMILES |
C=C(C)C(=O)CCC(C)=O
|
| InChIKey |
FXXXYZSMIIVJDG-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM162690
Similarity: 0.837
Similarity to MM162690
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302596
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| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8953 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM319378
Similarity: 0.8065
Similarity to MM319378
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8929 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
